Octaethyltetraphenylporphyrin | 63511-61-5

Product Introduction

Octaethyltetraphenylporphyrin is a synthetic compound that finds extensive applications in the biomedicine industry. Its multifaceted role encompasses the advancement of photodynamic therapy, a promising technique deployed in tackling diverse ailments, notably cancer. Possessing a distinctive configuration and adeptness in light absorption, this compound demonstrates exceptional capabilities in selectively homing in on cancer cells, obliterating them effectively upon activation by specific wavelengths.

Chemical Information
Synonyms	2,3,7,8,12,13,17,18-(octaethyl)-5,10,15,20-(tetraphenyl)porphyrin
IUPAC Name	2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
Canonical SMILES	CCC1=C(C2=C(C3=NC(=C(C4=NC(=C(C5=C(C(=C(N5)C(=C1N2)C6=CC=CC=C6)CC)CC)C7=CC=CC=C7)C(=C4CC)CC)C8=CC=CC=C8)C(=C3CC)CC)C9=CC=CC=C9)CC
InChI	InChI=1S/C60H62N4/c1-9-41-42(10-2)54-50(38-31-23-18-24-32-38)56-45(13-5)46(14-6)58(63-56)52(40-35-27-20-28-36-40)60-48(16-8)47(15-7)59(64-60)51(39-33-25-19-26-34-39)57-44(12-4)43(11-3)55(62-57)49(53(41)61-54)37-29-21-17-22-30-37/h17-36,61-62H,9-16H2,1-8H3
InChI Key	WSLROFYBZYXMQH-UHFFFAOYSA-N

Computed Properties
XLogP3	15
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	12
Exact Mass	838.49744799 g/mol
Monoisotopic Mass	838.49744799 g/mol
Topological Polar Surface Area	57.4Ų
Heavy Atom Count	64
Formal Charge	0
Complexity	1190
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Patents

Publication Number	Title	Priority Date
US-2020207895-A1	Radically polymerizable compositions	2019-01-02
WO-2020142632-A1	Radically polymerizable compositions	2019-01-02
EP-3906265-A1	Radically polymerizable compositions	2019-01-02
US-11518834-B2	Radically polymerizable compositions	2019-01-02
US-2016205925-A1	Antimicrobial compositions made of a thermoplastic polymer and a photosensitizer	2015-01-15